1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C16H24N4 — CID 66414749

IUPAC1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCn1ccc(CNC2CCCc3c2cnn3C)c1
InChIInChI=1S/C16H24N4/c1-3-8-20-9-7-13(12-20)10-17-15-5-4-6-16-14(15)11-18-19(16)2/h7,9,11-12,15,17H,3-6,8,10H2,1-2H3
InChIKeyOHQDHWGQTCZBCA-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.80
Rot. Bonds5

About 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 66414749) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID66414749
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCn1ccc(CNC2CCCc3c2cnn3C)c1
InChIInChI=1S/C16H24N4/c1-3-8-20-9-7-13(12-20)10-17-15-5-4-6-16-14(15)11-18-19(16)2/h7,9,11-12,15,17H,3-6,8,10H2,1-2H3
InChIKeyOHQDHWGQTCZBCA-UHFFFAOYSA-N
XLogP2.80
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247635
1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
(4R)-N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38059936
2,6-dimethyl-4-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]phenol
CID 43435407
(4S)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 97104162
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254628
N-[(5-bromothiophen-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435382
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 66414749) is 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is CCCn1ccc(CNC2CCCc3c2cnn3C)c1.
What is the InChIKey of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is OHQDHWGQTCZBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-8-20-9-7-13(12-20)10-17-15-5-4-6-16-14(15)11-18-19(16)2/h7,9,11-12,15,17H,3-6,8,10H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 272.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 66414749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).